5-methyl-1H-cyclohepta[d]imidazol-5-amine

C9H11N3 — CID 134404990

IUPAC5-methyl-1H-cyclohepta[d]imidazol-5-amine
SMILESCC1(N)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C9H11N3/c1-9(10)4-2-3-7-8(5-9)12-6-11-7/h2-6H,10H2,1H3,(H,11,12)
InChIKeyUJPASBZGDUJNCC-UHFFFAOYSA-N
MW161.21 g/mol
LogP-0.74
Rot. Bonds

About 5-methyl-1H-cyclohepta[d]imidazol-5-amine

5-methyl-1H-cyclohepta[d]imidazol-5-amine (PubChem CID 134404990) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-methyl-1H-cyclohepta[d]imidazol-5-amine.

Molecular Properties

Compound Name5-methyl-1H-cyclohepta[d]imidazol-5-amine
PubChem CID134404990
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-methyl-1H-cyclohepta[d]imidazol-5-amine
SMILESCC1(N)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C9H11N3/c1-9(10)4-2-3-7-8(5-9)12-6-11-7/h2-6H,10H2,1H3,(H,11,12)
InChIKeyUJPASBZGDUJNCC-UHFFFAOYSA-N
XLogP-0.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
10-methylidene-4,5-dihydro-1H-1,3-diazecine
CID 123465078
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617
N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
CID 134504066
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-cyclohepta[d]imidazol-5-amine?
The IUPAC name of 5-methyl-1H-cyclohepta[d]imidazol-5-amine (CID 134404990) is 5-methyl-1H-cyclohepta[d]imidazol-5-amine.
What is the SMILES notation for 5-methyl-1H-cyclohepta[d]imidazol-5-amine?
The canonical SMILES for 5-methyl-1H-cyclohepta[d]imidazol-5-amine is CC1(N)C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5-methyl-1H-cyclohepta[d]imidazol-5-amine?
The InChIKey is UJPASBZGDUJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-9(10)4-2-3-7-8(5-9)12-6-11-7/h2-6H,10H2,1H3,(H,11,12).
What are the key properties of 5-methyl-1H-cyclohepta[d]imidazol-5-amine?
5-methyl-1H-cyclohepta[d]imidazol-5-amine has a molecular weight of 161.21 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-cyclohepta[d]imidazol-5-amine is sourced from PubChem (CID 134404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).